N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine

C12H17N5O — CID 80896459

IUPACN-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCCN(Cc1ccco1)c1ncnc(NN)c1C
InChIInChI=1S/C12H17N5O/c1-3-17(7-10-5-4-6-18-10)12-9(2)11(16-13)14-8-15-12/h4-6,8H,3,7,13H2,1-2H3,(H,14,15,16)
InChIKeyIFAQZEGDORMQGS-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.69
Rot. Bonds5

About N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine

N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 80896459) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID80896459
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCCN(Cc1ccco1)c1ncnc(NN)c1C
InChIInChI=1S/C12H17N5O/c1-3-17(7-10-5-4-6-18-10)12-9(2)11(16-13)14-8-15-12/h4-6,8H,3,7,13H2,1-2H3,(H,14,15,16)
InChIKeyIFAQZEGDORMQGS-UHFFFAOYSA-N
XLogP1.69
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80795565
N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 80995311
N,N-dibenzyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 130162876
4-N-ethyl-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine
CID 80795257
2-chloro-4-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine
CID 114043650
5-ethyl-4-N-(furan-2-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80780940
5-(2-aminobutyl)-N-ethyl-N-(furan-2-ylmethyl)-3-methylpyridin-2-amine
CID 80629852
N-ethyl-6-fluoro-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 115416612
2-[benzyl-(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80908418
N-benzyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 80917919
2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine
CID 113333708
N-ethyl-3-fluoro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)pyridin-2-amine
CID 105389589

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine (CID 80896459) is N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine is CCN(Cc1ccco1)c1ncnc(NN)c1C.
What is the InChIKey of N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is IFAQZEGDORMQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-17(7-10-5-4-6-18-10)12-9(2)11(16-13)14-8-15-12/h4-6,8H,3,7,13H2,1-2H3,(H,14,15,16).
What are the key properties of N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 247.30 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80896459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).